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123266-63-7 molecular structure
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2,3-dihydro-1-benzofuran-7-carbonyl chloride

ChemBase ID: 74039
Molecular Formular: C9H7ClO2
Molecular Mass: 182.60368
Monoisotopic Mass: 182.01345714
SMILES and InChIs

SMILES:
O1c2c(cccc2C(=O)Cl)CC1
Canonical SMILES:
ClC(=O)c1cccc2c1OCC2
InChI:
InChI=1S/C9H7ClO2/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-3H,4-5H2
InChIKey:
KNBGUBMIJPZGHF-UHFFFAOYSA-N

Cite this record

CBID:74039 http://www.chembase.cn/molecule-74039.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dihydro-1-benzofuran-7-carbonyl chloride
IUPAC Traditional name
2,3-dihydro-1-benzofuran-7-carbonyl chloride
Synonyms
2,3-dihydro-1-benzofuran-7-carbonyl chloride
2,3-Dihydro-1-benzofuran-7-carbonyl chloride
7-(Chlorocarbonyl)-2,3-dihydrobenzo[b]furan
2,3-Dihydrobenzo[b]furan-7-carbonyl chloride
CAS Number
123266-63-7
MDL Number
MFCD06658967
PubChem SID
162038958
PubChem CID
2795016

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2795016 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0463755  LogD (pH = 7.4) 2.0463755 
Log P 2.0463755  Molar Refractivity 46.9455 cm3
Polarizability 17.662851 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
55-61°C expand Show data source
Storage Warning
Corrosive expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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